N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide

C19H23NO3 — CID 7936275

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(C)cc(C)c2)c1OC
InChIInChI=1S/C19H23NO3/c1-13-9-14(2)11-16(10-13)19(21)20(3)12-15-7-6-8-17(22-4)18(15)23-5/h6-11H,12H2,1-5H3
InChIKeyACPNHJPFRKXXKY-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.59
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide

N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide (PubChem CID 7936275) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
PubChem CID7936275
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(C)cc(C)c2)c1OC
InChIInChI=1S/C19H23NO3/c1-13-9-14(2)11-16(10-13)19(21)20(3)12-15-7-6-8-17(22-4)18(15)23-5/h6-11H,12H2,1-5H3
InChIKeyACPNHJPFRKXXKY-UHFFFAOYSA-N
XLogP3.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18112110
4-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 18112118
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18112138
N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47012981
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
N-[(2,3-dimethoxyphenyl)methyl]-3-(ethylsulfamoyl)-N-methylbenzamide
CID 36544729
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
CID 27786521
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
CID 24677632

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide (CID 7936275) is N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide is COc1cccc(CN(C)C(=O)c2cc(C)cc(C)c2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide?
The InChIKey is ACPNHJPFRKXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-9-14(2)11-16(10-13)19(21)20(3)12-15-7-6-8-17(22-4)18(15)23-5/h6-11H,12H2,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide?
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide is sourced from PubChem (CID 7936275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).